2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one

C22H18O5 — CID 166453560

IUPAC2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
SMILESCOc1cc(-c2ccc3c4c(cccc24)C(=O)C(O)=C3)cc(OC)c1OC
InChIInChI=1S/C22H18O5/c1-25-18-10-13(11-19(26-2)22(18)27-3)14-8-7-12-9-17(23)21(24)16-6-4-5-15(14)20(12)16/h4-11,23H,1-3H3
InChIKeyWAVZWROQADFIHK-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.63
Rot. Bonds4

About 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one

2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one (PubChem CID 166453560) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
PubChem CID166453560
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
SMILESCOc1cc(-c2ccc3c4c(cccc24)C(=O)C(O)=C3)cc(OC)c1OC
InChIInChI=1S/C22H18O5/c1-25-18-10-13(11-19(26-2)22(18)27-3)14-8-7-12-9-17(23)21(24)16-6-4-5-15(14)20(12)16/h4-11,23H,1-3H3
InChIKeyWAVZWROQADFIHK-UHFFFAOYSA-N
XLogP4.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453589
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
CID 141321863
7,8-dimethoxyphenalen-1-one
CID 10490203
2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
7-(4-methoxyphenyl)phenalen-1-one
CID 166453595
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
3-bromo-2-methoxybenzo[b]phenalen-7-one
CID 21304054

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The IUPAC name of 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one (CID 166453560) is 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one.
What is the SMILES notation for 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The canonical SMILES for 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one is COc1cc(-c2ccc3c4c(cccc24)C(=O)C(O)=C3)cc(OC)c1OC.
What is the InChIKey of 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The InChIKey is WAVZWROQADFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-25-18-10-13(11-19(26-2)22(18)27-3)14-8-7-12-9-17(23)21(24)16-6-4-5-15(14)20(12)16/h4-11,23H,1-3H3.
What are the key properties of 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one has a molecular weight of 362.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one is sourced from PubChem (CID 166453560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).